Tanimoto combo scores for compounds 1–4 to different drugs recommended in COVID-19.
Compound | Inhibiting the RNA polymerase | Inhibiting the viral protease | Blocking virus–cell membrane fusion | Prevent cytokine storm | |||
---|---|---|---|---|---|---|---|
Remdesivir | Favipiravir | α-ketomide | Lopinavir | Umifenovir | HCQ | Fingolimod | |
3; chalcone | 0.58 | 0.57 | 0.64 | 0.56 | 0.76 | 0.66 | 0.78 |
4; flavanone | 0.71 | 0.52 | 0.53 | 0.58 (retinover = 0.58) | 0.75 | 0.76 | 0.75 |
R isomer of 2 | 0.51 | 0.77 | 0.48 | 0.51 | 0.86 | 0.70 | 0.81 |
S isomer of 2 | 0.50 | 0.78 | 0.48 | 0.47 | 0.86 | 0.69 | 0.80 |
Aglycone of 3 | 0.53 | 0.78 | 0.52 | 0.57 | 0.87 | 0.85 | |
1; ferulic acid-heptyl ester | 0.58 | 0.82 | 0.52 | 0.53 | 0.87 | 0.73 | 0.94 |
Taxifolin | 0.54 | 0.81 | 0.49 | 0.45 | 0.827 | 0.70 | 0.73 |
Remdesiver | 2.00 | 0.51 | 0.56 | 0.58 | 0.75 | 0.58 | 0.58 |
Favipiravir | 0.44 | 2.00 | |||||
Lopinavir | 0.58 | 0.38 | 0.63 | 2.00 | 0.52 | 0.52 | 0.45 |
α-ketoamide | 0.53 | 0.45 | 2.00 | 0.56 | 0.52 | 0.51 | 0.51 |
N3 | 0.51 | 0.30 | 0.54 | 0.59 | 0.45 | 0.48 | 0.47 |
HQC | 0.56 | 0.77 | 0.54 | 0.54 | 0.83 | 2.00 | 0.84 |
CQ | 0.52 | 0.83 | 0.53 | 0.59 | 0.73 | 1.5 | 0.71 |
Umifenovir | 0.45 | 0.66 | 0.44 | 049 | 0.20 | 0.71 | 0.54 |
Fangiloamide | 0.56 | 0.60 | 0.52 | 0.45 | 0.74 | 0.76 | 2.00 |